2-(2-methoxy-5-methylanilino)-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(2-methoxy-5-methylanilino)-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(2-methoxy-5-methylanilino)-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2449 |
| Compound Name: | 2-(2-methoxy-5-methylanilino)-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C26 H24 F N3 O4 S |
| Smiles: | Cc1ccc(c(c1)NC(COC(CSc1nc2ccccc2n1Cc1ccc(cc1)F)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9931 |
| logD: | 4.9666 |
| logSw: | -4.6856 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.094 |
| InChI Key: | DUYUHRQQYGCGGA-UHFFFAOYSA-N |